(6Ar,9R,9Ar)-9-Acetyl-5-Chloro-3-[(1E,3E,5S)-3,5-Dimethyl-1,3-Heptadien-1-Yl]-6A-Methyl-9,9A-Dihydro-6H-Furo[2,3-H]Isochromene-6,8(6Ah)-Dione

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Properties Simple | Detailed

Formula C23H25ClO5
IUPAC Name (6ar,9r,9ar)-9-acetyl-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione
Molecular Mass 416.895 g·mol−1
Heat of Formation -729.4 ± 16.7 kJ·mol−1
Dipole Moment 9.40 ± 1.08 D
Volume 487.34 Å 3
Surface Area 422.2 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • (6ar,9r,9ar)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dienyl]-9-ethanoyl-6a-methyl-9,9a-dihydrofuro[5,4-h]isochromene-6,8-dione
  • (6ar,9r,9ar)-5-chloro-3-[(1e,5s)-3,5-dimethylhepta-1,3-dienyl]-9-ethanoyl-6a-methyl-9,9a-dihydrofuro[5,4-h]isochromene-6,8-dione
  • (6ar,9r,9ar)-9-acetyl-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[5,4-h]isochromene-6,8-dione
  • (6ar,9r,9ar)-9-acetyl-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[5,4-h]isochromene-6,8-quinone
  • (6ar,9r,9ar)-9-acetyl-5-chloro-3-[(1e,5s)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[5,4-h]isochromene-6,8-dione
  • (6ar,9r,9ar)-9-acetyl-5-chloro-3-[(1e,5s)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[5,4-h]isochromene-6,8-quinone
  • 6h-furo(2,3-h)-2-benzopyran-6,8(6ah)-dione, 9-acetyl-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-9,9a-dihydro-6a-methyl-, (6ar-(3(1e,3e,5s*),6aalpha,9beta,9aalpha))-
  • 6h-furol[2,3-h]-2-benzopyran-6,8(6ah)-dione, 9-avetyl-5-chloro-3-(1e,3e,5s)-3,5-dimethyl-1,3-heptadienyl-9,9a-dihydro-6a-methyl-, (6ar,9s,9ar)
  • 6h-furol[2,3-h]-2-benzopyran-6,8(6ah)-dione, 9-avetyl-5-chloro-3-(1e,3ez, 5s)-3,5-dimethyl-1,3-heptadienyl-9,9a-dihydro-6a-methyl-, (6ar,9s,9ar)
  • isochromophilone i
  • isochromophilone ib
CAS Number(s)
  • 154037-52-2
InChIKey BFKHRJFETIBYAU-WJKJBVSTSA-N
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